Xanthinin

CAS Registry Number®

580-49-4

CAS Name

Xanthinin

Molecular Formula

C17H22O5

Molecular Mass

306.35

Cite this Page

Xanthinin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=580-49-4 (retrieved 2024-11-24) (CAS RN: 580-49-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    121-122 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C17H22O5/c1-9-7-15-14(11(3)17(20)22-15)6-5-13(9)16(8-10(2)18)21-12(4)19/h5,9,14-16H,3,6-8H2,1-2,4H3

InChIKey

InChIKey=DPSCQKGSAHTWSP-UHFFFAOYSA-N

SMILES

C=C1C2C(CC(C)C(C(CC(C)=O)OC(C)=O)=CC2)OC1=O

Canonical SMILES

O=C1OC2CC(C(=CCC2C1=C)C(OC(=O)C)CC(=O)C)C

Other Names for this Substance

  • 2H-Cyclohepta[b]furan-2-one, 6-[1-(acetyloxy)-3-oxobutyl]-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-, (3aR,7S,8aS)-
  • Xanthinin
  • 2H-Cyclohepta[b]furan-2-one, 3,3a,4,7,8,8a-hexahydro-6-(1-hydroxy-3-oxobutyl)-7-methyl-3-methylene-, acetate, (3aR,7S,8aS)-
  • 2H-Cyclohepta[b]furan-2-one, 6-[1-(acetyloxy)-3-oxobutyl]-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-
  • (3aR,7S,8aS)-6-[1-(Acetyloxy)-3-oxobutyl]-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-2H-cyclohepta[b]furan-2-one

Deleted or Replaced CAS Registry Numbers

4853-02-5

CAS INSIGHTSTM
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